(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylhexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylhexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-aminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxohexyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-aminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-aminohexanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-5-guanidino-valeric acid Formula: C50H86N14O13 MolecularWeight: 1091.30384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)N

Isomeric SMILES

CCCCC(C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N

InChI

InChI=1S/C50H86N14O13/c1-8-9-13-33(52)43(70)62-38(24-31-16-18-32(66)19-17-31)47(74)58-30(7)42(69)64-39(26-65)48(75)60-34(14-10-11-20-51)45(72)63-36(22-27(2)3)44(71)56-25-40(67)59-37(23-28(4)5)46(73)57-29(6)41(68)61-35(49(76)77)15-12-21-55-50(53)54/h16-19,27-30,33-39,65-66H,8-15,20-26,51-52H2,1-7H3,(H,56,71)(H,57,73)(H,58,74)(H,59,67)(H,60,75)(H,61,68)(H,62,70)(H,63,72)(H,64,69)(H,76,77)(H4,53,54,55)/t29-,30-,33?,34-,35-,36-,37-,38-,39-/m0/s1