(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]succinic acid Formula: C42H68N16O12 MolecularWeight: 989.08932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H68N16O12/c1-21(59)33(39(68)56-28(12-7-17-51-42(48)49)36(65)54-26(10-4-5-15-43)37(66)57-30(40(69)70)19-32(61)62)58-38(67)29(13-14-31(45)60)55-35(64)27(11-6-16-50-41(46)47)53-34(63)24(44)18-22-20-52-25-9-3-2-8-23(22)25/h2-3,8-9,20-21,24,26-30,33,52,59H,4-7,10-19,43-44H2,1H3,(H2,45,60)(H,53,63)(H,54,65)(H,55,64)(H,56,68)(H,57,66)(H,58,67)(H,61,62)(H,69,70)(H4,46,47,50)(H4,48,49,51)/t21-,24+,26+,27+,28+,29+,30+,33+/m1/s1