(3S)-3-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-[[(2S,3R)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-[[(2S,3R)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-(carboxymethylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-(carboxymethylamino)-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-hydroxy-propyl]amino]-4-keto-butyric acid Formula: C47H77N13O15 MolecularWeight: 1064.19238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C47H77N13O15/c1-9-24(6)37(59-44(73)36(23(4)5)58-39(68)25(7)48)45(74)57-30(17-22(2)3)40(69)52-20-33(63)54-32(19-34(64)65)43(72)60-38(26(8)61)46(75)55-29(11-10-16-51-47(49)50)42(71)56-31(41(70)53-21-35(66)67)18-27-12-14-28(62)15-13-27/h12-15,22-26,29-32,36-38,61-62H,9-11,16-21,48H2,1-8H3,(H,52,69)(H,53,70)(H,54,63)(H,55,75)(H,56,71)(H,57,74)(H,58,68)(H,59,73)(H,60,72)(H,64,65)(H,66,67)(H4,49,50,51)/t24-,25-,26+,29-,30-,31-,32-,36-,37-,38-/m0/s1