(2S)-5-azanyl-2-[[(2S,3R)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[(2S,3R)-2-[2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[[(2S,3R)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(2S,3R)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[[(2S,3R)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[[(2S,3R)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-5-keto-valeric acid Formula: C64H119N23O18 MolecularWeight: 1498.77296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C64H119N23O18/c1-8-35(6)50(87-57(99)42(21-16-28-75-64(72)73)79-52(94)37(68)29-33(2)3)60(102)84-44(30-48(92)93)58(100)81-41(19-11-14-26-67)55(97)80-39(20-15-27-74-63(70)71)54(96)76-31-46(90)78-40(18-10-13-25-66)56(98)86-49(34(4)5)59(101)82-38(17-9-12-24-65)53(95)77-32-47(91)85-51(36(7)88)61(103)83-43(62(104)105)22-23-45(69)89/h33-44,49-51,88H,8-32,65-68H2,1-7H3,(H2,69,89)(H,76,96)(H,77,95)(H,78,90)(H,79,94)(H,80,97)(H,81,100)(H,82,101)(H,83,103)(H,84,102)(H,85,91)(H,86,98)(H,87,99)(H,92,93)(H,104,105)(H4,70,71,74)(H4,72,73,75)/t35-,36+,37-,38-,39-,40-,41-,42-,43-,44-,49-,50-,51-/m0/s1