(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]acetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]acetyl]amino]propionic acid Formula: C48H72N16O11 MolecularWeight: 1049.18588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)N

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)N

InChI

InChI=1S/C48H72N16O11/c1-25(2)38(45(73)63-35(20-28-12-6-5-7-13-28)43(71)59-26(3)39(67)57-23-37(66)58-27(4)46(74)75)64-42(70)34(17-11-19-55-48(52)53)61-44(72)36(21-29-22-56-32-15-9-8-14-30(29)32)62-41(69)33(16-10-18-54-47(50)51)60-40(68)31(49)24-65/h5-9,12-15,22,25-27,31,33-36,38,56,65H,10-11,16-21,23-24,49H2,1-4H3,(H,57,67)(H,58,66)(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,73)(H,64,70)(H,74,75)(H4,50,51,54)(H4,52,53,55)/t26-,27-,31-,33-,34-,35-,36-,38-/m0/s1