(2R,6S,7R)-6-azanyl-2-[[(2S)-3-azanyl-2-[[(3R)-3-azanyl-3-oxidanyl-propanoyl]-[(2S)-3-azanyl-2-phenyl-propanoyl]amino]propanoyl]amino]-9-[2-[3-(4-azanylbutylamino)propylamino]ethanoylamino]-7-oxidanyl-9-oxidanylidene-nonanoic acid

Systemtic Name: (2R,6S,7R)-6-azanyl-2-[[(2S)-3-azanyl-2-[[(3R)-3-azanyl-3-oxidanyl-propanoyl]-[(2S)-3-azanyl-2-phenyl-propanoyl]amino]propanoyl]amino]-9-[2-[3-(4-azanylbutylamino)propylamino]ethanoylamino]-7-oxidanyl-9-oxidanylidene-nonanoic acid Openeye Name: (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxy-propanoyl]-[(2S)-3-amino-2-phenyl-propanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]acetyl]amino]-7-hydroxy-9-oxo-nonanoic acid CAS Name: (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxy-1-oxopropyl]-[(2S)-3-amino-1-oxo-2-phenylpropyl]amino]-1-oxopropyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]-1-oxoethyl]amino]-7-hydroxy-9-oxononanoic acid IUPAC Name: (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxypropanoyl]-[(2S)-3-amino-2-phenylpropanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]acetyl]amino]-7-hydroxy-9-oxononanoic acid Traditional Name: (2R,6S,7R)-6-amino-2-[[(2S)-3-amino-2-[[(3R)-3-amino-3-hydroxy-propanoyl]-[(2S)-3-amino-2-phenyl-propanoyl]amino]propanoyl]amino]-9-[[2-[3-(4-aminobutylamino)propylamino]acetyl]amino]-7-hydroxy-9-keto-pelargonic acid Formula: C33H58N10O9 MolecularWeight: 738.87522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN)C(=O)N(C(CN)C(=O)NC(CCCC(C(CC(=O)NC(=O)CNCCCNCCCCN)O)N)C(=O)O)C(=O)CC(N)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CN)C(=O)N([C@@H](CN)C(=O)N[C@H](CCC[C@@H]([C@@H](CC(=O)NC(=O)CNCCCNCCCCN)O)N)C(=O)O)C(=O)C[C@H](N)O

InChI

InChI=1S/C33H58N10O9/c34-12-4-5-13-39-14-7-15-40-20-29(47)42-28(46)16-26(44)23(37)10-6-11-24(33(51)52)41-31(49)25(19-36)43(30(48)17-27(38)45)32(50)22(18-35)21-8-2-1-3-9-21/h1-3,8-9,22-27,39-40,44-45H,4-7,10-20,34-38H2,(H,41,49)(H,51,52)(H,42,46,47)/t22-,23+,24-,25+,26-,27-/m1/s1