tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate

C37H69N7O10 — CID 10033149

About tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 10033149) has the molecular formula C37H69N7O10 and a molecular weight of 772.00 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
• PubChem CID: 10033149
• Molecular Formula: C37H69N7O10
• Molecular Weight: 772.00 g/mol
• Exact Mass: 771.51
• IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
• SMILES: CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@H](C(=O)NC(CC(N)=O)C(=O)NC[C@@H](C)O)C(C)C)C(C)CC
• InChI: InChI=1S/C37H69N7O10/c1-13-21(7)30(43-35(52)31(22(8)14-2)44-36(53)54-37(10,11)12)34(51)40-24(15-19(3)4)26(46)17-28(48)42-29(20(5)6)33(50)41-25(16-27(38)47)32(49)39-18-23(9)45/h19-26,29-31,45-46H,13-18H2,1-12H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,43,52)(H,44,53)/t21?,22?,23-,24+,25?,26?,29+,30+,31+/m1/s1
• InChIKey: HZYGFGFQBHMYQZ-WOPJVRTNSA-N
• XLogP: 0.74
• TPSA: 267.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.00
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate (CID 10033149) is tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate is CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@H](C(=O)NC(CC(N)=O)C(=O)NC[C@@H](C)O)C(C)C)C(C)CC.

What is the InChIKey of tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?

The InChIKey is HZYGFGFQBHMYQZ-WOPJVRTNSA-N. The full InChI is InChI=1S/C37H69N7O10/c1-13-21(7)30(43-35(52)31(22(8)14-2)44-36(53)54-37(10,11)12)34(51)40-24(15-19(3)4)26(46)17-28(48)42-29(20(5)6)33(50)41-25(16-27(38)47)32(49)39-18-23(9)45/h19-26,29-31,45-46H,13-18H2,1-12H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,43,52)(H,44,53)/t21?,22?,23-,24+,25?,26?,29+,30+,31+/m1/s1.

What are the key properties of tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?

tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 772.00 g/mol, XLogP of 0.74, 23 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[[(2S)-1-[[(4S)-1-[[(2S)-1-[[4-amino-1-[[(2R)-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 10033149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).