(3S)-3-azanyl-4-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-azanyl-1-[[(2S)-6-azanyl-1-(carboxymethylamino)-1-oxidanylidene-hexan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-azanyl-1-[[(2S)-6-azanyl-1-(carboxymethylamino)-1-oxidanylidene-hexan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-4-amino-1-[[(1S)-5-amino-1-(carboxymethylcarbamoyl)pentyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-(carboxymethylamino)-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-[[(1S)-4-amino-1-[[(1S)-5-amino-1-(carboxymethylcarbamoyl)pentyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]amino]-4-keto-butyric acid Formula: C44H81N15O14 MolecularWeight: 1044.20604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)N)O

InChI

InChI=1S/C44H81N15O14/c1-22(2)19-30(57-36(66)25(47)20-32(62)63)41(71)54-27(12-7-9-17-46)39(69)58-34(23(3)4)42(72)55-28(13-10-18-51-44(49)50)40(70)59-35(24(5)60)43(73)56-29(14-15-31(48)61)38(68)53-26(11-6-8-16-45)37(67)52-21-33(64)65/h22-30,34-35,60H,6-21,45-47H2,1-5H3,(H2,48,61)(H,52,67)(H,53,68)(H,54,71)(H,55,72)(H,56,73)(H,57,66)(H,58,69)(H,59,70)(H,62,63)(H,64,65)(H4,49,50,51)/t24-,25+,26+,27+,28+,29+,30+,34+,35+/m1/s1