(3S)-4-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-3-methyl-butanoyl]amino]-3-mercapto-propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-keto-butyric acid Formula: C44H72N16O11S2 MolecularWeight: 1065.27308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CS)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CS)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CS)N

InChI

InChI=1S/C44H72N16O11S2/c1-22(2)34(60-35(63)25(46)20-72)41(69)59-32(21-73)40(68)56-29(13-8-16-52-44(49)50)37(65)57-30(18-33(61)62)39(67)55-28(12-7-15-51-43(47)48)36(64)54-27(11-5-6-14-45)38(66)58-31(42(70)71)17-23-19-53-26-10-4-3-9-24(23)26/h3-4,9-10,19,22,25,27-32,34,53,72-73H,5-8,11-18,20-21,45-46H2,1-2H3,(H,54,64)(H,55,67)(H,56,68)(H,57,65)(H,58,66)(H,59,69)(H,60,63)(H,61,62)(H,70,71)(H4,47,48,51)(H4,49,50,52)/t25-,27-,28-,29-,30-,31-,32-,34-/m0/s1