(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]-4-oxidanyl-pentanoyl]amino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-5-azanyl-2-[[(2S,3R)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]-4-oxidanyl-pentanoyl]amino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-4-hydroxy-pentanoyl]amino]pentanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-4-hydroxy-1-oxopentyl]amino]-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopentyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)-4-hydroxypentanoyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-4-hydroxy-pentanoyl]amino]pentanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C41H74N16O11 MolecularWeight: 967.12686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCCN)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCCN)NC(=O)C(CC(CN=C(N)N)O)NC(=O)C(CCCN=C(N)N)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CCCN)NC(=O)[C@H](CC(CN=C(N)N)O)NC(=O)[C@H](CCCN=C(N)N)N)O

InChI

InChI=1S/C41H74N16O11/c1-22(58)32(57-36(64)29(10-5-17-44)53-37(65)30(20-25(60)21-51-41(48)49)55-33(61)26(45)7-6-18-50-40(46)47)38(66)54-28(9-4-16-43)34(62)52-27(8-2-3-15-42)35(63)56-31(39(67)68)19-23-11-13-24(59)14-12-23/h11-14,22,25-32,58-60H,2-10,15-21,42-45H2,1H3,(H,52,62)(H,53,65)(H,54,66)(H,55,61)(H,56,63)(H,57,64)(H,67,68)(H4,46,47,50)(H4,48,49,51)/t22-,25?,26+,27+,28+,29+,30+,31+,32+/m1/s1