(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-naphthalen-2-yl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]amino]-3-(2-naphthyl)propanoyl]amino]-5-guanidino-valeric acid Formula: C50H71N11O7 MolecularWeight: 938.16824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC3=CC4=CC=CC=C4C=C3)NC(=O)C(CCCCN)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C50H71N11O7/c1-3-31(2)43(61-47(65)42(59-44(62)38(53)17-8-10-24-51)30-33-21-23-35-14-5-7-16-37(35)28-33)48(66)57-39(18-9-11-25-52)45(63)60-41(29-32-20-22-34-13-4-6-15-36(34)27-32)46(64)58-40(49(67)68)19-12-26-56-50(54)55/h4-7,13-16,20-23,27-28,31,38-43H,3,8-12,17-19,24-26,29-30,51-53H2,1-2H3,(H,57,66)(H,58,64)(H,59,62)(H,60,63)(H,61,65)(H,67,68)(H4,54,55,56)/t31-,38-,39-,40-,41-,42-,43-/m0/s1