(2R)-6-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[2-[[(2R)-2-[[(2R,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid

Systemtic Name: (2R)-6-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[2-[[(2R)-2-[[(2R,3S)-2-azanyl-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Openeye Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid CAS Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3S)-2-amino-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Traditional Name: (2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[[(2R,3S)-2-amino-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Formula: C45H72N14O12 MolecularWeight: 1001.13978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC1=CN=CN1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCCN)C(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)N[C@H](CCCCN)C(=O)O)N

InChI

InChI=1S/C45H72N14O12/c1-5-25(4)37(47)43(69)59-31(17-24(2)3)38(64)52-22-35(61)54-33(19-27-21-50-23-53-27)41(67)55-29(10-8-16-51-45(48)49)39(65)58-34(20-36(62)63)42(68)57-32(18-26-11-13-28(60)14-12-26)40(66)56-30(44(70)71)9-6-7-15-46/h11-14,21,23-25,29-34,37,60H,5-10,15-20,22,46-47H2,1-4H3,(H,50,53)(H,52,64)(H,54,61)(H,55,67)(H,56,66)(H,57,68)(H,58,65)(H,59,69)(H,62,63)(H,70,71)(H4,48,49,51)/t25-,29+,30+,31+,32+,33+,34+,37+/m0/s1